Direct Blue 15 (Technical Grade)

Analyte Name

Direct Blue 15

CAS Number

2429-74-5

Molecular Formula

C34 H24 N6 O16 S4 . 4 Na

Molecular Weight

992.80

Accurate Mass

991.9722

SMILES

[Na+].[Na+].[Na+].[Na+].COc1cc(ccc1N=Nc2c(O)c3c(N)cc(cc3cc2S(=O)(=O)[O-])S(=O)(=O)[O-])c4ccc(N=Nc5c(O)c6c(N)cc(cc6cc5S(=O)(=O)[O-])S(=O)(=O)[O-])c(OC)c4

InChI

InChI=1S/C34H28N6O16S4.4Na/c1-55-25-9-15(3-5-23(25)37-39-31-27(59(49,50)51)11-17-7-19(57(43,44)45)13-21(35)29(17)33(31)41)16-4-6-24(26(10-16)56-2)38-40-32-28(60(52,53)54)12-18-8-20(58(46,47)48)14-22(36)30(18)34(32)42;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4

IUPAC

tetrasodium;5-amino-3-[(E)-[4-[4-[(E)-(8-amino-1-hydroxy-3,6-disulfonatonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat